SCHEMBL4536582

SCHEMBL4536582

Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H]2CC3(Cc2cc(C)ccc2S(=O)(=O)O)Cc2cc(C)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
MMP2 P08253 6/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HSD11B1 P28845 3/20 0.34
ANPEP P15144 2/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4529643 0.80 MCOLN3 (0.49) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL4539209 0.75 POLB (0.46) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL13934758 0.75 MCOLN3 (0.46) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL13934759 0.73 MCOLN3 (0.44) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL13934760 0.72 MMP2 (0.43) MCOLN3L3MBTL1KMT2AMMP2ALDH1A1
SCHEMBL4538996 0.71 POLB (0.50) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL4527439 0.69 GAA (0.53) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL13934757 0.69 GAA (0.53) MCOLN3L3MBTL1POLBKMT2AMMP2
SCHEMBL10845796 0.69 CYP2D6 (0.47) MCOLN3L3MBTL1POLBKMT2AMEN1
SCHEMBL29835687 0.68 KMT2A (0.31) L3MBTL1POLBKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A MCOLN3 2688/4885L3MBTL1 3907/4885POLB 2373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.